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CAS 130325-35-8

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D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

Description:
D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amino, carbonyl, and hydroxyl groups. This compound is notable for its potential biological activity, particularly in pharmaceutical applications, as it may interact with various biological targets due to its diverse functional groups. The presence of indole and bicyclic structures suggests potential interactions with biological receptors, making it of interest in medicinal chemistry. Its solubility and stability in different solvents can vary, influencing its bioavailability and efficacy. The compound's CAS number, 130325-35-8, allows for precise identification in chemical databases, facilitating research and development in related fields. Overall, this substance exemplifies the complexity often found in bioactive molecules, highlighting the interplay between structure and function in chemical biology.
Formula:C35H44N4O6·C7H17NO5
InChI:InChI=1S/C35H44N4O6.C7H17NO5/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t24-,27-,28+,34+,35+;4-,5+,6+,7+/m00/s1
InChI key:InChIKey=CWJXTOIDFOBOKQ-OWZHFMFPSA-N
SMILES:C[C@@]12[C@H](OC(N[C@](CC=3C=4C(NC3)=CC=CC4)(C(NC[C@H](NC(CCC(O)=O)=O)C5=CC=CC=C5)=O)C)=O)C[C@@](C1(C)C)(CC2)[H].[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O
Synonyms:
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt)
  • Butanoic acid, 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-, [1S-[1α,2β[S*(S*)],4α]]-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Butanoic acid, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, [1S-[1α,2β[S*(S*)],4α]]-4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)
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